Geometry & MOs

Info

ID:	332681
PubChem CID:	127250967
Reduced:	FO4N5H18C19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	432.190989
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	3.98
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]-2-(2-methylindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)C(=O)COC4=CC=CC=C4F

DOS

IR

Vibrations